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Home > Fluorides > 136386-03-3
136386-03-3 | Benzoic acid, 2-fluoro-4-hydroxy-, 1-(trifluoromethyl)heptyl ester
CAS No: 136386-03-3 Catalog No: AG0011U5 MDL No:
Product Description
Catalog Number:
AG0011U5
Chemical Name:
Benzoic acid, 2-fluoro-4-hydroxy-, 1-(trifluoromethyl)heptyl ester
CAS Number:
136386-03-3
Molecular Formula:
C15H18F4O3
Molecular Weight:
322.2952
IUPAC Name:
1,1,1-trifluorooctan-2-yl 2-fluoro-4-hydroxybenzoate
InChI:
InChI=1S/C15H18F4O3/c1-2-3-4-5-6-13(15(17,18)19)22-14(21)11-8-7-10(20)9-12(11)16/h7-9,13,20H,2-6H2,1H3
InChI Key:
NACKEKGGPUGQRO-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(F)(F)F)OC(=O)c1ccc(cc1F)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.3g/mol
Monoisotopic Mass:
322.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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